N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine

C57H39NOS — CID 177281165

IUPACN-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4oc5ccccc5c4c3-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21
InChIInChI=1S/C57H39NOS/c1-57(2)48-22-12-9-19-43(48)44-27-25-41(34-49(44)57)58(42-26-28-46-45-20-11-14-24-53(45)60-54(46)35-42)50-29-30-52-56(47-21-10-13-23-51(47)59-52)55(50)40-32-38(36-15-5-3-6-16-36)31-39(33-40)37-17-7-4-8-18-37/h3-35H,1-2H3
InChIKeyXQEHZCYDUSHFBN-UHFFFAOYSA-N
MW786.01 g/mol
LogP16.73
Rot. Bonds6

About N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine

N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine (PubChem CID 177281165) has the molecular formula C57H39NOS and a molecular weight of 786.01 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine
PubChem CID177281165
Molecular FormulaC57H39NOS
Molecular Weight786.01 g/mol
Exact Mass785.28
IUPAC NameN-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4oc5ccccc5c4c3-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21
InChIInChI=1S/C57H39NOS/c1-57(2)48-22-12-9-19-43(48)44-27-25-41(34-49(44)57)58(42-26-28-46-45-20-11-14-24-53(45)60-54(46)35-42)50-29-30-52-56(47-21-10-13-23-51(47)59-52)55(50)40-32-38(36-15-5-3-6-16-36)31-39(33-40)37-17-7-4-8-18-37/h3-35H,1-2H3
InChIKeyXQEHZCYDUSHFBN-UHFFFAOYSA-N
XLogP16.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.01
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine
CID 177280731
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-triphenylen-2-yldibenzofuran-2-amine
CID 177281181
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yldibenzofuran-2-amine
CID 177280608
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine
CID 177281250
N,N-bis(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)dibenzofuran-2-amine
CID 177281391
N-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281306
N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-amine
CID 171050290
N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 158450745
N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine
CID 161049325
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177280924
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 70808776
N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-3-amine
CID 177280948

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine (CID 177281165) is N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4oc5ccccc5c4c3-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21.
What is the InChIKey of N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine?
The InChIKey is XQEHZCYDUSHFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NOS/c1-57(2)48-22-12-9-19-43(48)44-27-25-41(34-49(44)57)58(42-26-28-46-45-20-11-14-24-53(45)60-54(46)35-42)50-29-30-52-56(47-21-10-13-23-51(47)59-52)55(50)40-32-38(36-15-5-3-6-16-36)31-39(33-40)37-17-7-4-8-18-37/h3-35H,1-2H3.
What are the key properties of N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine?
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine has a molecular weight of 786.01 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 177281165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).